Fragment.java

/* $RCSfile$ * $Author: egonw $ * $Date: 2007-01-04 18:46:10 +0100 (Thu, 04 Jan 2007) $ * $Revision: 7636 $ * * Copyright (C) 1997-2007 Egon Willighagen <egonw@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. */package org.openscience.cdk;
/** * Represents the concept of a fragment with free valences. * An example use would be a set of templates with amino acid * residues in a protein generator. * * @author egonw * @cdk.created 2002-08-14 * * @cdk.keyword fragment * @cdk.keyword free valence */00037publicclass FragmentextendsAtomContainer implements java.io.Serializable, Cloneable
{
/** * Determines if a de-serialized object is compatible with this class. * * This value must only be changed if and only if the new version * of this class is imcompatible with the old version. See Sun docs * for <a href=http://java.sun.com/products/jdk/1.1/docs/guide * /serialization/spec/version.doc.html>details</a>. */00048privatestaticfinallongserialVersionUID = -1559884858290354341L;
private String title;
/** number of bonds this fragment can still make. */00053privateintfree_valences;
/** * Creates an empty Fragment. */00058publicFragment() {
super();
}
/** * Returns the title of this Fragment. * * @return The title of this Fragment * * @see #setTitle */00069public String getTitle() {
return this.title;
}
/** * Sets the title of this Fragment. * * @param title title of this fragment * * @see #getTitle */00080publicvoidsetTitle(String title) {
this.title = title;
notifyChanged();
}
/** * Returns the number of free valences of this Fragment. * * @return The title of this Fragment * * @see #setFreeValences */00092publicintgetFreeValences() {
return this.free_valences;
}
/** * Sets the number of free valences of this Fragment. * * @param count the number of free valences of this fragment * * @see #getFreeValences */00103publicvoidsetFreeValences(int count) {
this.free_valences = count;
notifyChanged();
}
}